SCHEMBL1541691

SCHEMBL1541691

NCC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.53
GABBR1 Q9UBS5 2/20 0.53
TAAR1 Q96RJ0 5/20 0.52
HTR2A P28223 1/20 0.52
EPHX1 P07099 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
SLC6A2 P23975 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CYP19A1 P11511 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8621230 1.00 GABBR2 (0.53) GABBR2GABBR1TAAR1HTR2AEPHX1
SCHEMBL8810284 1.00 GABBR2 (0.53) GABBR2GABBR1TAAR1HTR2AEPHX1
Hydrochloric Acid SCHEMBL1983404 0.98 GABBR2 (0.52) GABBR2GABBR1TAAR1HTR2AEPHX1
SCHEMBL5308855 0.86 ESR1 (0.55) GABBR2GABBR1TAAR1ALDH1A1
SCHEMBL15903897 0.86 ESR1 (0.55) GABBR2GABBR1TAAR1SLC6A2
SCHEMBL5308356 0.86 CHRNB2 (0.54) GABBR2GABBR1TAAR1HTR2ASLC6A2
Hydrochloric Acid SCHEMBL9735324 0.86 CHRNB2 (0.55) GABBR2GABBR1TAAR1HTR2AALDH1A1
SCHEMBL146771 0.85 MTNR1A (0.55) TAAR1EPHX1ALDH1A1MTNR1AMTNR1B
SCHEMBL10513800 0.85 TAAR1 (0.47) GABBR2GABBR1TAAR1HTR2AALDH1A1
SCHEMBL10269974 0.85 LOXL2 (0.50) GABBR2GABBR1TAAR1HTR2AEPHX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 228 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372492-A1 DRUGS CONJUGATED WITH HEXOSE PHOSPHATE AND METHODS OF MAKING AND USING SAME MISSISSIPPI STATE UNIVERSITY (US) 2023-11-23 US claimed
EP-4221755-A1 DRUGS CONJUGATED WITH HEXOSE PHOSPHATE AND METHODS OF MAKING AND USING SAME Mississippi State University (US) 2023-08-09 EP claimed
WO-2022072425-A1 DRUGS CONJUGATED WITH HEXOSE PHOSPHATE AND METHODS OF MAKING AND USING SAME PARK JOO YOUN (US) 2022-04-07 WO claimed
CN-104081469-A Electrically insulating oil composition having excellent performance in wide temperature range JX NIPPON OIL & ENERGY CORP 2014-10-01 CN claimed
CN-103582920-A Electrical insulating oil composition having excellent low-temperature characteristics JX NIPPON OIL & ENERGY CORP 2014-02-12 CN claimed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US claimed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 EP claimed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 WO claimed
WO-1999055323-A1 USE OF NMDA ANTAGONISTS FOR TREATMENT OF IRRITABLE BOWEL SYNDROME ASTRAZENECA AB (SE) 1999-11-04 WO claimed
WO-1999055322-A1 USE OF NMDA ANTAGONISTS AND/OR SODIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ASTRAZENECA AB (SE) 1999-11-04 WO claimed
EP-0906275-A1 NEW FORMS OF ORGANIC SALTS OF N'N-DIACETYLCYSTINE Astra Aktiebolag (publ) (SE) 1999-04-07 EP claimed
CN-1041723-C Organic salts of N,N'-diacetyl cystine ASTRA AB (SE) 1999-01-20 CN claimed
CN-1039586-C Process for preparing organic salts of N, N' -diacetylcystine ASTRA AB (SE) 1998-08-26 CN claimed
WO-1997048679-A1 NEW FORMS OF ORGANIC SALTS OF N'N-DIACETYLCYSTINE ASTRA AKTIEBOLAG (PUBL) (SE) 1997-12-24 WO claimed
CN-1094715-A N, the organic salt of N '-diacetyl Gelucystine ASTRA AB (SE) 1994-11-09 CN claimed
CN-1073683-A Organic salts of N, N' -diacetylcystine ASTRA AB (SE) 1993-06-30 CN claimed
WO-1993001817-A1 ANTIVIRAL COMPOSITIONS COMPRISING FUSIDIC ACID, L-ASCORBIC ACID AND SALICYLIC ACID AND DERIVATIVES SSALI CHARLES LWANGA (GB) 1993-02-04 WO claimed
US-4086340-A ANTIBIOTIC; ANIMAL GROWTH PROMOTER BAYER AKTIENGESELLSCHAFT (DT) 1978-04-25 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 GABBR2 1318/4885GABBR1 1030/4885TAAR1 199/4885
US-20230372492-A1 DRUGS CONJUGATED WITH HEXOSE PHOSPHATE AND METHODS OF MAKING AND USING SAME GFPT1, PHPT1, SLC2A1 GABBR2 4098/4885GABBR1 3576/4885TAAR1 4381/4885
US-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A GABBR2 309/4885GABBR1 296/4885TAAR1 162/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.